Chemical ID: 4905082

Cc1c(c2c(cn1)C(=O)OC2)O
Chemical ID:
4905082
Name [?]:
2-hydroxy-3-methyl-8-oxa-4-azabicyclo[4.3.0]nona-1,3,5-trien-7-one
SMILES [?]:
Cc1c(c2c(cn1)C(=O)OC2)O
InChi [?]:
InChI=1/C8H7NO3/c1-4-7(10)6-3-12-8(11)5(6)2-9-4/h2,10H,3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,11,2,5,4,3,8,7,12,9,10/rA:12nCCCCCCNCOOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s4s10;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7NO3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.53124
Area:308.221
Solvation:-3.17427
Coulombic:-38.4024
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:165.146
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.3
LogP (Chemaxon):-0.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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